3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid

C15H11BrFNO3 — CID 81457052

IUPAC3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)ccc2F)cc1Br
InChIInChI=1S/C15H11BrFNO3/c1-8-2-3-9(6-11(8)16)14(19)18-13-7-10(15(20)21)4-5-12(13)17/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyNHKMTDPKODFESX-UHFFFAOYSA-N
MW352.16 g/mol
LogP3.85
Rot. Bonds3

About 3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid

3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid (PubChem CID 81457052) has the molecular formula C15H11BrFNO3 and a molecular weight of 352.16 g/mol. Its IUPAC name is 3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid.

Molecular Properties

Compound Name3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid
PubChem CID81457052
Molecular FormulaC15H11BrFNO3
Molecular Weight352.16 g/mol
Exact Mass350.99
IUPAC Name3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)ccc2F)cc1Br
InChIInChI=1S/C15H11BrFNO3/c1-8-2-3-9(6-11(8)16)14(19)18-13-7-10(15(20)21)4-5-12(13)17/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyNHKMTDPKODFESX-UHFFFAOYSA-N
XLogP3.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.16
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209943
3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid
CID 107264705
4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 103822569
4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid
CID 81457285
3-[(3-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 60748935
3-[(2,5-difluoro-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 75472219
3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide
CID 1297695
3-[(2-fluoro-5-methylphenyl)carbamoyl]benzoic acid
CID 43452946
2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid
CID 81470848
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
3-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)-4-methylbenzamide
CID 79489943
3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 81472688

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid?
The IUPAC name of 3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid (CID 81457052) is 3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid.
What is the SMILES notation for 3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid?
The canonical SMILES for 3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid is Cc1ccc(C(=O)Nc2cc(C(=O)O)ccc2F)cc1Br.
What is the InChIKey of 3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid?
The InChIKey is NHKMTDPKODFESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO3/c1-8-2-3-9(6-11(8)16)14(19)18-13-7-10(15(20)21)4-5-12(13)17/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid?
3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid has a molecular weight of 352.16 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid is sourced from PubChem (CID 81457052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).